Determinant not equal box volume For box 2 This error occurred in subroutine Com

Recently,I have used Cassandra to simulate ionic liquids.In my simulation system,I have utilized the gemc_npt ensemble to do the absorption of CO2 in ionicliquids.But there is a problem during the process.The following is my problem:

Determinant not equal box volume
For box
2
This error occurred in subroutine Compute_Cell_Dimensions on step 8226.
Fatal Error. Stopping program

I have changed the number of CO2 in box2 and the volume of box2,but it does not work.I have posted my input file and the log file. I look formward to hearing from you soon.And any question is welcome.

Dear Tang,

Thank you for bringing this to our attention. Could you send us the fragment files so that we can try to reproduce the error and trace its source?

Thank you.
Jindal

Thank for your reply,Jindal.I have posted the fragment files and input files.

Thank for your reply,Jindal.The following is my files.

The following is my xyz file and ff file,because I cannot post the fragment files.

The above are my xyz files and ff files.Because of the limit of the files uploaded,I changed the ff files into the kind of txt.
Thank you again.

Tang,

Thanks. Is it possible for you to share fragment files via dropbox or Google docs? You can send me a link at This email address is being protected from spambots. You need JavaScript enabled to view it.. Thanks.